Ton AT - Search Results

1

Artificial intelligence-enabled virtual screening of ultra-large chemical libraries with deep docking.

Gentile F, Yaacoub JC, Gleave J, Fernandez M, Ton AT, Ban F, Stern A, Cherkasov A. Gentile F, et al. Among authors: ton at. Nat Protoc. 2022 Mar;17(3):672-697. doi: 10.1038/s41596-021-00659-2. Epub 2022 Feb 4. Nat Protoc. 2022. PMID: 35121854 Review.

2

Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds.

Ton AT, Gentile F, Hsing M, Ban F, Cherkasov A. Ton AT, et al. Mol Inform. 2020 Aug;39(8):e2000028. doi: 10.1002/minf.202000028. Epub 2020 Mar 23. Mol Inform. 2020. PMID: 32162456 Free PMC article.

3

Deep Docking: A Deep Learning Platform for Augmentation of Structure Based Drug Discovery.

Gentile F, Agrawal V, Hsing M, Ton AT, Ban F, Norinder U, Gleave ME, Cherkasov A. Gentile F, et al. Among authors: ton at. ACS Cent Sci. 2020 Jun 24;6(6):939-949. doi: 10.1021/acscentsci.0c00229. Epub 2020 May 19. ACS Cent Sci. 2020. PMID: 32607441 Free PMC article.

4

Dual-Inhibitors of N-Myc and AURKA as Potential Therapy for Neuroendocrine Prostate Cancer.

Ton AT, Singh K, Morin H, Ban F, Leblanc E, Lee J, Lallous N, Cherkasov A. Ton AT, et al. Int J Mol Sci. 2020 Nov 5;21(21):8277. doi: 10.3390/ijms21218277. Int J Mol Sci. 2020. PMID: 33167327 Free PMC article.

5

Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.

Lee J, Worrall LJ, Vuckovic M, Rosell FI, Gentile F, Ton AT, Caveney NA, Ban F, Cherkasov A, Paetzel M, Strynadka NCJ. Lee J, et al. Among authors: ton at. Nat Commun. 2020 Nov 18;11(1):5877. doi: 10.1038/s41467-020-19662-4. Nat Commun. 2020. PMID: 33208735 Free PMC article.

6

Drugging the 'undruggable'. Therapeutic targeting of protein-DNA interactions with the use of computer-aided drug discovery methods.

Radaeva M, Ton AT, Hsing M, Ban F, Cherkasov A. Radaeva M, et al. Among authors: ton at. Drug Discov Today. 2021 Nov;26(11):2660-2679. doi: 10.1016/j.drudis.2021.07.018. Epub 2021 Jul 28. Drug Discov Today. 2021. PMID: 34332092 Free article. Review.

7

Automated discovery of noncovalent inhibitors of SARS-CoV-2 main protease by consensus Deep Docking of 40 billion small molecules.

Gentile F, Fernandez M, Ban F, Ton AT, Mslati H, Perez CF, Leblanc E, Yaacoub JC, Gleave J, Stern A, Wong B, Jean F, Strynadka N, Cherkasov A. Gentile F, et al. Among authors: ton at. Chem Sci. 2021 Nov 17;12(48):15960-15974. doi: 10.1039/d1sc05579h. eCollection 2021 Dec 15. Chem Sci. 2021. PMID: 35024120 Free PMC article.

8

Development of VPC-70619, a Small-Molecule N-Myc Inhibitor as a Potential Therapy for Neuroendocrine Prostate Cancer.

Ton AT, Foo J, Singh K, Lee J, Kalyta A, Morin H, Perez C, Ban F, Leblanc E, Lallous N, Cherkasov A. Ton AT, et al. Int J Mol Sci. 2022 Feb 26;23(5):2588. doi: 10.3390/ijms23052588. Int J Mol Sci. 2022. PMID: 35269731 Free PMC article.

9

X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.

Lee J, Kenward C, Worrall LJ, Vuckovic M, Gentile F, Ton AT, Ng M, Cherkasov A, Strynadka NCJ, Paetzel M. Lee J, et al. Among authors: ton at. Nat Commun. 2022 Sep 3;13(1):5196. doi: 10.1038/s41467-022-32854-4. Nat Commun. 2022. PMID: 36057636 Free PMC article.

10

Targeting SARS-CoV-2 papain-like protease in the postvaccine era.

Ton AT, Pandey M, Smith JR, Ban F, Fernandez M, Cherkasov A. Ton AT, et al. Trends Pharmacol Sci. 2022 Nov;43(11):906-919. doi: 10.1016/j.tips.2022.08.008. Epub 2022 Aug 24. Trends Pharmacol Sci. 2022. PMID: 36114026 Free PMC article. Review.

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